3,3,5-trimethyl-4-oxidanyl-4-[(E)-3-oxidanylbut-1-enyl]cyclohexan-1-one

Systemtic Name: 3,3,5-trimethyl-4-oxidanyl-4-[(E)-3-oxidanylbut-1-enyl]cyclohexan-1-one Openeye Name: 4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,3,5-trimethyl-cyclohexanone CAS Name: 4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,3,5-trimethyl-1-cyclohexanone IUPAC Name: 4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one Traditional Name: 4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,3,5-trimethyl-cyclohexanone Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC(C1(C=CC(C)O)O)(C)C

Isomeric SMILES

CC1CC(=O)CC(C1(/C=C/C(C)O)O)(C)C

InChI

InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3/b6-5+